N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide

C18H23N5O2 — CID 122356686

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2c(C)nc(N3CCCC3)nc2C)cn1
InChIInChI=1S/C18H23N5O2/c1-4-25-15-8-7-14(11-19-15)17(24)22-16-12(2)20-18(21-13(16)3)23-9-5-6-10-23/h7-8,11H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyTVYJSZUXODXNBW-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.74
Rot. Bonds5

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide (PubChem CID 122356686) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide
PubChem CID122356686
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2c(C)nc(N3CCCC3)nc2C)cn1
InChIInChI=1S/C18H23N5O2/c1-4-25-15-8-7-14(11-19-15)17(24)22-16-12(2)20-18(21-13(16)3)23-9-5-6-10-23/h7-8,11H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyTVYJSZUXODXNBW-UHFFFAOYSA-N
XLogP2.74
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122356691
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
CID 122356456
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122254625
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122356884
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
CID 71807242
6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122327671
(6-ethoxy-3-pyridinyl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343885
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
6-ethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 87010730
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807245
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 122356550
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122356474

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide (CID 122356686) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2c(C)nc(N3CCCC3)nc2C)cn1.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide?
The InChIKey is TVYJSZUXODXNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-25-15-8-7-14(11-19-15)17(24)22-16-12(2)20-18(21-13(16)3)23-9-5-6-10-23/h7-8,11H,4-6,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 122356686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).